1-[[2-[2-(4-tert-butylphenyl)ethyl]-5,5-diethyl-1,3-dioxan-2-yl]methyl]imidazole

C24H36N2O2 — CID 20547988

IUPAC1-[[2-[2-(4-tert-butylphenyl)ethyl]-5,5-diethyl-1,3-dioxan-2-yl]methyl]imidazole
SMILESCCC1(CC)COC(CCc2ccc(C(C)(C)C)cc2)(Cn2ccnc2)OC1
InChIInChI=1S/C24H36N2O2/c1-6-23(7-2)17-27-24(28-18-23,16-26-15-14-25-19-26)13-12-20-8-10-21(11-9-20)22(3,4)5/h8-11,14-15,19H,6-7,12-13,16-18H2,1-5H3
InChIKeyFFOZODOTWDKLPH-UHFFFAOYSA-N
MW384.56 g/mol
LogP5.36
Rot. Bonds7

About 1-[[2-[2-(4-tert-butylphenyl)ethyl]-5,5-diethyl-1,3-dioxan-2-yl]methyl]imidazole

1-[[2-[2-(4-tert-butylphenyl)ethyl]-5,5-diethyl-1,3-dioxan-2-yl]methyl]imidazole (PubChem CID 20547988) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 1-[[2-[2-(4-tert-butylphenyl)ethyl]-5,5-diethyl-1,3-dioxan-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[2-[2-(4-tert-butylphenyl)ethyl]-5,5-diethyl-1,3-dioxan-2-yl]methyl]imidazole
PubChem CID20547988
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name1-[[2-[2-(4-tert-butylphenyl)ethyl]-5,5-diethyl-1,3-dioxan-2-yl]methyl]imidazole
SMILESCCC1(CC)COC(CCc2ccc(C(C)(C)C)cc2)(Cn2ccnc2)OC1
InChIInChI=1S/C24H36N2O2/c1-6-23(7-2)17-27-24(28-18-23,16-26-15-14-25-19-26)13-12-20-8-10-21(11-9-20)22(3,4)5/h8-11,14-15,19H,6-7,12-13,16-18H2,1-5H3
InChIKeyFFOZODOTWDKLPH-UHFFFAOYSA-N
XLogP5.36
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[2-[2-(4-tert-butylphenyl)ethyl]-5,5-diethyl-1,3-dioxan-2-yl]methyl]imidazole with MolForge

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Related Compounds

1-[[2-[2-(4-fluorophenyl)ethyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole
CID 20547952
1-[[5,5-diethyl-2-[2-(3-methylphenyl)ethyl]-1,3-dioxan-2-yl]methyl]imidazole
CID 20548075
1-[[2-[2-(4-methoxyphenyl)ethyl]-5,5-di(propan-2-yl)-1,3-dioxan-2-yl]methyl]imidazole
CID 20547920
1-[[4-[(4-tert-butylphenyl)sulfanylmethyl]-2-[2-(4-methylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20507891
1-[[2-[2-(4-tert-butylphenyl)ethyl]-4-[(4-chlorophenoxy)methyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20508053
1-[[4,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-2-yl]methyl]imidazole
CID 20547813
1-[[5,5-dipropyl-2-[2-(2,3,5,6-tetramethylphenyl)ethyl]-1,3-dioxan-2-yl]methyl]imidazole
CID 20548070
1-[2-[2-[(4-bromophenyl)methyl]-5,5-diethyl-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547488
1-[[5,5-diethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxan-2-yl]methyl]imidazole
CID 20547519
1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole
CID 20547857
1-[[2-[2-(4-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-dioxan-2-yl]methyl]imidazole;hydrochloride
CID 70549755
1-[[4-tert-butyl-2-[2-(4-methylphenyl)ethyl]-1,3-dioxan-2-yl]methyl]imidazole
CID 20547577

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[2-(4-tert-butylphenyl)ethyl]-5,5-diethyl-1,3-dioxan-2-yl]methyl]imidazole?
The IUPAC name of 1-[[2-[2-(4-tert-butylphenyl)ethyl]-5,5-diethyl-1,3-dioxan-2-yl]methyl]imidazole (CID 20547988) is 1-[[2-[2-(4-tert-butylphenyl)ethyl]-5,5-diethyl-1,3-dioxan-2-yl]methyl]imidazole.
What is the SMILES notation for 1-[[2-[2-(4-tert-butylphenyl)ethyl]-5,5-diethyl-1,3-dioxan-2-yl]methyl]imidazole?
The canonical SMILES for 1-[[2-[2-(4-tert-butylphenyl)ethyl]-5,5-diethyl-1,3-dioxan-2-yl]methyl]imidazole is CCC1(CC)COC(CCc2ccc(C(C)(C)C)cc2)(Cn2ccnc2)OC1.
What is the InChIKey of 1-[[2-[2-(4-tert-butylphenyl)ethyl]-5,5-diethyl-1,3-dioxan-2-yl]methyl]imidazole?
The InChIKey is FFOZODOTWDKLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-6-23(7-2)17-27-24(28-18-23,16-26-15-14-25-19-26)13-12-20-8-10-21(11-9-20)22(3,4)5/h8-11,14-15,19H,6-7,12-13,16-18H2,1-5H3.
What are the key properties of 1-[[2-[2-(4-tert-butylphenyl)ethyl]-5,5-diethyl-1,3-dioxan-2-yl]methyl]imidazole?
1-[[2-[2-(4-tert-butylphenyl)ethyl]-5,5-diethyl-1,3-dioxan-2-yl]methyl]imidazole has a molecular weight of 384.56 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[2-(4-tert-butylphenyl)ethyl]-5,5-diethyl-1,3-dioxan-2-yl]methyl]imidazole is sourced from PubChem (CID 20547988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).